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(2R,3R,3aR)-2-((5S,6aR,9aR)-5-Methyl-octahydro-dicyclopenta[1,3]dioxin-5-yl)-hexahydro-isoxazolo[2,3-a]pyridine-3-carboxylic acid methyl ester
SpectraBase Compound ID HCCjI4pKD0k
InChI InChI=1S/C20H31NO5/c1-19(24-14-8-5-10-20(14)11-6-9-15(20)25-19)17-16(18(22)23-2)13-7-3-4-12-21(13)26-17/h13-17H,3-12H2,1-2H3/t13-,14-,15+,16-,17-,19?,20-/m1/s1
InChIKey WWKRNKSFJXDLGC-HWRRVXITSA-N
Mol Weight 365.47 g/mol
Molecular Formula C20H31NO5
Exact Mass 365.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDcb26uRTYb
Name (2R,3R,3aR)-2-((5S,6aR,9aR)-5-Methyl-octahydro-dicyclopenta[1,3]dioxin-5-yl)-hexahydro-isoxazolo[2,3-a]pyridine-3-carboxylic acid methyl ester
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Formula C20H31NO5
InChI InChI=1S/C20H31NO5/c1-19(24-14-8-5-10-20(14)11-6-9-15(20)25-19)17-16(18(22)23-2)13-7-3-4-12-21(13)26-17/h13-17H,3-12H2,1-2H3/t13-,14-,15+,16-,17-,19?,20-/m1/s1
InChIKey WWKRNKSFJXDLGC-HWRRVXITSA-N
Molecular Weight 365.470 g/mol
SMILES [C@@]1(C2(O[C@@]3(CCC[C@]33[C@@](O2)(CCC3)[H])[H])C)([C@@]([C@]2(CCCCN2O1)[H])(C(=O)OC)[H])[H]
SPLASH splash10-00di-4900000000-8cbf1a72f0b07e89ab67
Source of Spectrum KD-12-1755-24
Synonyms exo-Methyl (2R,3R,3aR/S)-2-[1,1-[(1R,5R,6R)-spiro[4.4]nonylene-1,6-dioxy]ethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate Methyl (2R,3R,3aR)-2-[(3aR,6aR)-5-methyloctahydrodicyclopenta[d,e][1,3]dioxin-5-yl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
Wiley ID 1634521